ALIGN 1
1 4:N1a 12:N1a #R1
- 1:C1c * #D1
- * 6:C1c #D1
ENTRY1
COMPOUND
C00049
ATOM 9
1 C1c C 20.5966 -17.6225
2 C1b C 21.8586 -17.0091
3 C6a C 19.3696 -16.9740
4 N1a N 20.5849 -19.1418
5 C6a C 22.9982 -17.8037
6 O6a O 18.1775 -17.6869
7 O6a O 19.3930 -15.5950
8 O6a O 24.2954 -17.1903
9 O6a O 22.9806 -19.1008
BOND 8
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 3 6 1
6 3 7 2
7 5 8 1
8 5 9 2
ENTRY2
COMPOUND
C00826
ATOM 16
1 C1z C 21.1030 -15.1142
2 C1b C 22.2976 -14.4217
3 C2x C 19.9082 -15.8133
4 C2x C 22.3230 -15.8133
5 C6a C 19.9145 -14.4152
6 C1c C 23.4988 -15.1142
7 C2x C 19.9082 -17.2115
8 C2x C 22.3230 -17.2115
9 O6a O 18.4147 -15.2287
10 O6a O 19.8890 -13.1570
11 C6a C 24.6934 -14.4217
12 N1a N 23.4988 -16.4933
13 C1y C 21.1092 -17.9168
14 O6a O 25.8882 -15.1142
15 O6a O 24.6934 -13.1061
16 O1a O 21.1030 -19.4359
BOND 16
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 3 7 2
7 4 8 2
8 5 9 1
9 5 10 2
10 6 11 1
11 6 12 1 #Up
12 7 13 1
13 11 14 1
14 11 15 2
15 13 16 1
16 8 13 1